N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-phenylmethoxybenzamide

C19H22N2O3 — CID 87045963

IUPACN-(3-amino-2,2-dimethyl-3-oxopropyl)-4-phenylmethoxybenzamide
SMILESCC(C)(CNC(=O)c1ccc(OCc2ccccc2)cc1)C(N)=O
InChIInChI=1S/C19H22N2O3/c1-19(2,18(20)23)13-21-17(22)15-8-10-16(11-9-15)24-12-14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3,(H2,20,23)(H,21,22)
InChIKeyYUOLMNDYTGTMAK-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.51
Rot. Bonds7

About N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-phenylmethoxybenzamide

N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-phenylmethoxybenzamide (PubChem CID 87045963) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethyl-3-oxopropyl)-4-phenylmethoxybenzamide
PubChem CID87045963
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-(3-amino-2,2-dimethyl-3-oxopropyl)-4-phenylmethoxybenzamide
SMILESCC(C)(CNC(=O)c1ccc(OCc2ccccc2)cc1)C(N)=O
InChIInChI=1S/C19H22N2O3/c1-19(2,18(20)23)13-21-17(22)15-8-10-16(11-9-15)24-12-14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3,(H2,20,23)(H,21,22)
InChIKeyYUOLMNDYTGTMAK-UHFFFAOYSA-N
XLogP2.51
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxybenzamide
CID 103875188
N-(2-aminoethyl)-4-phenylmethoxybenzamide
CID 13064036
4-phenylmethoxy-N-propylbenzamide
CID 4958389
N-methyl-4-phenylmethoxybenzamide
CID 2996745
N-(2-hydroxyethyl)-4-phenylmethoxybenzamide
CID 10825986
4-phenylmethoxybenzoic acid
CID 68896574
2-hydroxy-2-phenyl-2-(4-phenylmethoxyphenyl)acetamide
CID 139613624
N-[2-(4-tert-butylphenyl)ethyl]-4-(4-phenylmethoxyphenyl)benzamide
CID 139904878
2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-one
CID 14125672
N-(3-anilinopropyl)-4-phenylmethoxybenzamide
CID 56586584
N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-phenylmethoxybenzamide
CID 9300981
methyl 4-[[(4-phenylmethoxybenzoyl)amino]carbamoyl]benzoate
CID 17178415

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-phenylmethoxybenzamide?
The IUPAC name of N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-phenylmethoxybenzamide (CID 87045963) is N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-phenylmethoxybenzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-phenylmethoxybenzamide?
The canonical SMILES for N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-phenylmethoxybenzamide is CC(C)(CNC(=O)c1ccc(OCc2ccccc2)cc1)C(N)=O.
What is the InChIKey of N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-phenylmethoxybenzamide?
The InChIKey is YUOLMNDYTGTMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-19(2,18(20)23)13-21-17(22)15-8-10-16(11-9-15)24-12-14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3,(H2,20,23)(H,21,22).
What are the key properties of N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-phenylmethoxybenzamide?
N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-phenylmethoxybenzamide has a molecular weight of 326.40 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-phenylmethoxybenzamide is sourced from PubChem (CID 87045963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).